General Information of the Compound
| Compound ID |
CP0564112
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| Compound Name |
US9428460, 15
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| Formula |
C23H20BrN3O2
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| Molecular Weight |
450.336
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| Canonical SMILES |
Brc1cccc2c(O[C@H]3CC[C@@H](CC3)NC(=O)c3ccc(cc3)C#N)ccnc12
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| InChI |
InChI=1S/C23H20BrN3O2/c24-20-3-1-2-19-21(12-13-26-22(19)20)29-18-10-8-17(9-11-18)27-23(28)16-6-4-15(14-25)5-7-16/h1-7,12-13,17-18H,8-11H2,(H,27,28)/t17-,18-
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| InChIKey |
DAZKXJJTODKOBG-IYARVYRRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound